1-[1-(2-aminoethyl)-5-tert-butylindol-3-yl]ethanol

C16H24N2O — CID 83945111

IUPAC1-[1-(2-aminoethyl)-5-tert-butylindol-3-yl]ethanol
SMILESCC(O)c1cn(CCN)c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C16H24N2O/c1-11(19)14-10-18(8-7-17)15-6-5-12(9-13(14)15)16(2,3)4/h5-6,9-11,19H,7-8,17H2,1-4H3
InChIKeyQCMSDPQQOLZYNG-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.95
Rot. Bonds3

About 1-[1-(2-aminoethyl)-5-tert-butylindol-3-yl]ethanol

1-[1-(2-aminoethyl)-5-tert-butylindol-3-yl]ethanol (PubChem CID 83945111) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[1-(2-aminoethyl)-5-tert-butylindol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-aminoethyl)-5-tert-butylindol-3-yl]ethanol
PubChem CID83945111
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[1-(2-aminoethyl)-5-tert-butylindol-3-yl]ethanol
SMILESCC(O)c1cn(CCN)c2ccc(C(C)(C)C)cc12
InChIInChI=1S/C16H24N2O/c1-11(19)14-10-18(8-7-17)15-6-5-12(9-13(14)15)16(2,3)4/h5-6,9-11,19H,7-8,17H2,1-4H3
InChIKeyQCMSDPQQOLZYNG-UHFFFAOYSA-N
XLogP2.95
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-tert-butyl-1-methylindol-3-yl)propan-1-amine
CID 82497727
3-(1-hydroxyethyl)-1-propylindole-5-carboxylic acid
CID 83945010
2-(5-tert-butyl-3-methylindol-1-yl)ethanol
CID 83945063
1-(1,5-diethylindol-3-yl)ethanol
CID 83945334
3-(5-methyl-3-propan-2-ylindol-1-yl)propan-1-amine
CID 83948737
1-[1-(2-aminoethyl)-6,7-dichloroindol-3-yl]ethanol
CID 83944817
1-[1-ethyl-5-(trifluoromethyl)indol-3-yl]ethanamine
CID 117120942
1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid
CID 83946012
1-(1-butyl-6-chloroindol-3-yl)ethanol
CID 83945241
1-(2-aminoethyl)-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid
CID 83946424
1-(6-chloro-5-methyl-1-propylindol-3-yl)ethanol
CID 83944411
1-[6-chloro-1-(2-hydroxyethyl)-5-methylindol-3-yl]ethanol
CID 83944381

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoethyl)-5-tert-butylindol-3-yl]ethanol?
The IUPAC name of 1-[1-(2-aminoethyl)-5-tert-butylindol-3-yl]ethanol (CID 83945111) is 1-[1-(2-aminoethyl)-5-tert-butylindol-3-yl]ethanol.
What is the SMILES notation for 1-[1-(2-aminoethyl)-5-tert-butylindol-3-yl]ethanol?
The canonical SMILES for 1-[1-(2-aminoethyl)-5-tert-butylindol-3-yl]ethanol is CC(O)c1cn(CCN)c2ccc(C(C)(C)C)cc12.
What is the InChIKey of 1-[1-(2-aminoethyl)-5-tert-butylindol-3-yl]ethanol?
The InChIKey is QCMSDPQQOLZYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11(19)14-10-18(8-7-17)15-6-5-12(9-13(14)15)16(2,3)4/h5-6,9-11,19H,7-8,17H2,1-4H3.
What are the key properties of 1-[1-(2-aminoethyl)-5-tert-butylindol-3-yl]ethanol?
1-[1-(2-aminoethyl)-5-tert-butylindol-3-yl]ethanol has a molecular weight of 260.38 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminoethyl)-5-tert-butylindol-3-yl]ethanol is sourced from PubChem (CID 83945111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).